(2R,6S)-4-(1H-imidazol-2-ylmethyl)-2-phenyl-6-propan-2-ylmorpholine

C17H23N3O — CID 134708049

IUPAC(2R,6S)-4-(1H-imidazol-2-ylmethyl)-2-phenyl-6-propan-2-ylmorpholine
SMILESCC(C)[C@H]1CN(Cc2ncc[nH]2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C17H23N3O/c1-13(2)15-10-20(12-17-18-8-9-19-17)11-16(21-15)14-6-4-3-5-7-14/h3-9,13,15-16H,10-12H2,1-2H3,(H,18,19)/t15-,16+/m1/s1
InChIKeyVDKGIMDUJJQBGL-CVEARBPZSA-N
MW285.39 g/mol
LogP3.01
Rot. Bonds4

About (2R,6S)-4-(1H-imidazol-2-ylmethyl)-2-phenyl-6-propan-2-ylmorpholine

(2R,6S)-4-(1H-imidazol-2-ylmethyl)-2-phenyl-6-propan-2-ylmorpholine (PubChem CID 134708049) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (2R,6S)-4-(1H-imidazol-2-ylmethyl)-2-phenyl-6-propan-2-ylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-(1H-imidazol-2-ylmethyl)-2-phenyl-6-propan-2-ylmorpholine
PubChem CID134708049
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(2R,6S)-4-(1H-imidazol-2-ylmethyl)-2-phenyl-6-propan-2-ylmorpholine
SMILESCC(C)[C@H]1CN(Cc2ncc[nH]2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C17H23N3O/c1-13(2)15-10-20(12-17-18-8-9-19-17)11-16(21-15)14-6-4-3-5-7-14/h3-9,13,15-16H,10-12H2,1-2H3,(H,18,19)/t15-,16+/m1/s1
InChIKeyVDKGIMDUJJQBGL-CVEARBPZSA-N
XLogP3.01
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-(1H-imidazol-2-ylmethyl)-2-phenyl-6-propan-2-ylmorpholine?
The IUPAC name of (2R,6S)-4-(1H-imidazol-2-ylmethyl)-2-phenyl-6-propan-2-ylmorpholine (CID 134708049) is (2R,6S)-4-(1H-imidazol-2-ylmethyl)-2-phenyl-6-propan-2-ylmorpholine.
What is the SMILES notation for (2R,6S)-4-(1H-imidazol-2-ylmethyl)-2-phenyl-6-propan-2-ylmorpholine?
The canonical SMILES for (2R,6S)-4-(1H-imidazol-2-ylmethyl)-2-phenyl-6-propan-2-ylmorpholine is CC(C)[C@H]1CN(Cc2ncc[nH]2)C[C@@H](c2ccccc2)O1.
What is the InChIKey of (2R,6S)-4-(1H-imidazol-2-ylmethyl)-2-phenyl-6-propan-2-ylmorpholine?
The InChIKey is VDKGIMDUJJQBGL-CVEARBPZSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(2)15-10-20(12-17-18-8-9-19-17)11-16(21-15)14-6-4-3-5-7-14/h3-9,13,15-16H,10-12H2,1-2H3,(H,18,19)/t15-,16+/m1/s1.
What are the key properties of (2R,6S)-4-(1H-imidazol-2-ylmethyl)-2-phenyl-6-propan-2-ylmorpholine?
(2R,6S)-4-(1H-imidazol-2-ylmethyl)-2-phenyl-6-propan-2-ylmorpholine has a molecular weight of 285.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-(1H-imidazol-2-ylmethyl)-2-phenyl-6-propan-2-ylmorpholine is sourced from PubChem (CID 134708049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).